[3-(3-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine

C13H16FNO — CID 117194136

IUPAC[3-(3-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESNCC1C2CCC(O2)C1c1cccc(F)c1
InChIInChI=1S/C13H16FNO/c14-9-3-1-2-8(6-9)13-10(7-15)11-4-5-12(13)16-11/h1-3,6,10-13H,4-5,7,15H2
InChIKeyGEGDAYWUKKQSKS-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.05
Rot. Bonds2

About [3-(3-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine

[3-(3-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (PubChem CID 117194136) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
PubChem CID117194136
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name[3-(3-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESNCC1C2CCC(O2)C1c1cccc(F)c1
InChIInChI=1S/C13H16FNO/c14-9-3-1-2-8(6-9)13-10(7-15)11-4-5-12(13)16-11/h1-3,6,10-13H,4-5,7,15H2
InChIKeyGEGDAYWUKKQSKS-UHFFFAOYSA-N
XLogP2.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(3-fluorophenyl)oxan-2-yl]methanamine
CID 165449279
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 68924561
2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 2933748
3-(3-fluorophenyl)-7-azabicyclo[2.2.1]heptan-2-amine
CID 117194161
8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane
CID 84673420
[3-(3-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine
CID 105462009
2-(3-fluorophenyl)cyclobutan-1-amine
CID 81014796
N-[3-(3-fluorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714381
2-[4-(3-fluorophenyl)cyclohexyl]-5-methyloxane
CID 142899993
1-fluoro-3-[4-(4-fluorobutyl)cyclohexyl]benzene
CID 20663504
2,8,14-tris(3-fluorophenyl)-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(19),3(21),4,6,9(20),10,12,15,17-nonaene
CID 58224716
3-(3-fluorophenyl)pyrrolidin-1-amine
CID 83529953

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The IUPAC name of [3-(3-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (CID 117194136) is [3-(3-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.
What is the SMILES notation for [3-(3-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The canonical SMILES for [3-(3-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is NCC1C2CCC(O2)C1c1cccc(F)c1.
What is the InChIKey of [3-(3-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The InChIKey is GEGDAYWUKKQSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-9-3-1-2-8(6-9)13-10(7-15)11-4-5-12(13)16-11/h1-3,6,10-13H,4-5,7,15H2.
What are the key properties of [3-(3-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
[3-(3-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine has a molecular weight of 221.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is sourced from PubChem (CID 117194136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).